2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine

C14H18FN3O — CID 107700474

IUPAC2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
SMILESCn1nccc1CCOc1ccc(F)cc1CCN
InChIInChI=1S/C14H18FN3O/c1-18-13(5-8-17-18)6-9-19-14-3-2-12(15)10-11(14)4-7-16/h2-3,5,8,10H,4,6-7,9,16H2,1H3
InChIKeyVBMXVSYHRHAICL-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.68
Rot. Bonds6

About 2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine

2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine (PubChem CID 107700474) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
PubChem CID107700474
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
SMILESCn1nccc1CCOc1ccc(F)cc1CCN
InChIInChI=1S/C14H18FN3O/c1-18-13(5-8-17-18)6-9-19-14-3-2-12(15)10-11(14)4-7-16/h2-3,5,8,10H,4,6-7,9,16H2,1H3
InChIKeyVBMXVSYHRHAICL-UHFFFAOYSA-N
XLogP1.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 103013023
[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]boronic acid
CID 103003887
(1R)-1-[4-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine
CID 102999823
2-[5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 107700337
2-[6-methyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]-2-pyridinyl]ethanamine
CID 103013161
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
5-[2-[2-(chloromethyl)-4-methoxyphenoxy]ethyl]-1-methylpyrazole
CID 103003740
5-[2-[2-(bromomethyl)-4-methylphenoxy]ethyl]-1-methylpyrazole
CID 103003791
(1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003611
4-bromo-3-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 103009202
2-[2-(2-methylpyrazol-3-yl)ethoxy]-5-(trifluoromethyl)aniline
CID 102999385
N-[[5-chloro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999589

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine (CID 107700474) is 2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine is Cn1nccc1CCOc1ccc(F)cc1CCN.
What is the InChIKey of 2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine?
The InChIKey is VBMXVSYHRHAICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-18-13(5-8-17-18)6-9-19-14-3-2-12(15)10-11(14)4-7-16/h2-3,5,8,10H,4,6-7,9,16H2,1H3.
What are the key properties of 2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine?
2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine has a molecular weight of 263.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanamine is sourced from PubChem (CID 107700474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).